2-[(4-Iodophenyl)amino]acetic acid

Base Information

• Chemical Name: 2-[(4-Iodophenyl)amino]acetic acid
• CAS No.: 13370-63-3
• Molecular Formula: C₈H₈INO₂
• Molecular Weight: 277.062
• European Community (EC) Number: 959-315-5
• Mol file: 13370-63-3.mol

Synonyms:2-[(4-iodophenyl)amino]acetic acid;13370-63-3;N-(4-Iodophenyl)glycine;2-(4-iodoanilino)acetic acid;2-((4-Iodophenyl)amino)acetic acid;SCHEMBL5292449;MFCD00771917;AKOS009255605;LS-10742

Chemical Property of 2-[(4-Iodophenyl)amino]acetic acid

Chemical Property:

• Melting Point: 121-123℃
• Boiling Point: 421.0±30.0 °C(Predicted)
• PKA: 4.00±0.20(Predicted)
• Density: 1.949±0.06 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Iodophenyl)glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NCC(=O)O)I

Technology Process of 2-[(4-Iodophenyl)amino]acetic acid

There total 5 articles about 2-[(4-Iodophenyl)amino]acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

glyoxalic acid monohydrate (6000-59-5,1152495-30-1) + p-aminoiodobenzene (540-37-4) → 2-((4-iodophenyl)amino)acetic acid (13370-63-3)

Guidance literature:

With sodium acetate; sodium cyanoborohydride; acetic acid; In methanol; at 0 - 20 ℃;

DOI:10.1039/c9cc01458f

Reference yield: 51.0%

Glyoxilic acid (298-12-4) + p-aminoiodobenzene (540-37-4) → 2-((4-iodophenyl)amino)acetic acid (13370-63-3)

Guidance literature:

With sodium acetate; sodium cyanoborohydride; acetic acid; In methanol; at 0 - 20 ℃; for 2h;

DOI:10.1021/jo501420r

Reference yield:

2-(4-iodophenylamino)acetic acid ethyl ester (14108-76-0) → 2-((4-iodophenyl)amino)acetic acid (13370-63-3)

Guidance literature:

With water; lithium hydroxide; for 1.5h; Reflux;

DOI:10.1016/j.bioorg.2021.105196

upstream raw materials:

Glyoxilic acid

p-aminoiodobenzene

glyoxalic acid monohydrate

2-(4-iodophenylamino)acetic acid ethyl ester

Downstream raw materials:

3-(4-iodophenyl)-1,2,3λ⁵-oxadiazol-3-ylium-5-olate

4-ido-3-(4-iodophenyl)sydnone